2P2G

crystal structure of ornithine carbamoyltransferase from mycobacterium tuberculosis (rv1656): orthorhombic form

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 101
  • Norm. En. per Res.: -4.2948
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-52.249	-137.6875	-258.559	-448.4955	105	9	7	10794	9	35	43
A-C	-47.7808	-134.9334	-240.737	-423.4512	101	7	7	10386	8	35	43
A-D	-18.4498	68.1796	-53.5132	-3.7833	44	3	0	2919	0	24	30
A-F	0.0	0.0	-0.2009	-0.2009	5	0	0	50	0	0	0
B-C	-66.0804	-114.9647	-241.83	-422.8751	102	12	7	10550	8	36	43
B-D	0.0	0.0	-0.1913	-0.1913	4	0	0	50	0	0	0
B-E	-28.1131	66.8299	-60.1418	-21.4249	44	3	0	2980	0	23	30
C-E	-9.3464	0.0	-3.8179	-13.1643	4	1	0	153	0	0	0
C-F	-28.4078	72.4478	-64.542	-20.502	42	2	0	3020	0	24	31
D-E	-44.7145	-136.9658	-252.092	-433.7723	101	10	7	10593	9	37	43
D-F	-35.9012	-117.4849	-254.573	-407.9591	106	5	7	10731	9	35	43
E-F	-45.9008	-133.0497	-246.234	-425.1845	102	5	7	10657	10	37	43

Interface residues

• A-B: ALA267A, ALA284A, ALA289A, ALA295A, ALA43B, ALA62A, ALA68A, ALA68B, ALA88B, ALA97B, ARG142A, ARG269A, ARG292A, ARG34A, ARG40B, ARG52A, ARG54A, ARG54B, ARG80B, ARG93B, ASN291A, ASN49A, ASP275A, ASP279A, ASP287A, ASP72A, ASP72B, ASP81B, ASP86B, ASP96B, CYS264A, GLN131A, GLN296A, GLN37A, GLN37B, GLN63A, GLN85B, GLU141A, GLU288A, GLU290A, GLU58A, GLU58B, GLU82B, GLY38B, GLY41B, GLY60A, GLY65A, GLY65B, GLY66A, GLY66B, GLY74A, GLY74B, HIS268A, HIS294A, HIS67A, HIS67B, ILE45B, ILE61A, ILE61B, ILE98B, LEU265A, LEU293A, LEU36B, LEU59A, LEU64A, LEU78B, LEU91B, LYS27A, LYS297A, LYS48A, LYS89B, MET278A, PHE55A, PHE57A, PRO266A, PRO30A, PRO39B, SER283A, SER50A, SER56A, SER73A, SER73B, SER75B, SER92B, THR138A, THR225A, THR51A, THR53A, THR76B, THR83B, THR87B, TRP286A, TYR94B, VAL285A, VAL31A, VAL42B, VAL44B, VAL69A, VAL69B, VAL70A, VAL70B, VAL71B, VAL90B, VAL95B, VAL99B
• A-C: ALA134C, ALA267C, ALA284C, ALA289C, ALA43A, ALA62C, ALA68A, ALA68C, ALA88A, ALA97A, ARG269C, ARG292C, ARG34C, ARG40A, ARG52C, ARG54A, ARG54C, ARG80A, ARG93A, ASN291C, ASN49C, ASP275C, ASP279C, ASP287C, ASP72A, ASP72C, ASP81A, ASP86A, ASP96A, CYS264C, GLN131C, GLN296C, GLN37A, GLN63C, GLN85A, GLU141C, GLU288C, GLU290C, GLU58A, GLU58C, GLU82A, GLY38A, GLY41A, GLY60C, GLY65C, GLY66A, GLY66C, GLY74A, GLY74C, HIS268C, HIS294C, HIS67A, HIS67C, ILE45A, ILE61C, ILE98A, LEU265C, LEU293C, LEU36A, LEU59C, LEU64C, LEU78A, LEU91A, LYS27C, LYS297C, LYS48C, LYS89A, MET278C, PHE55C, PHE57C, PRO266C, PRO30C, PRO39A, SER283C, SER50C, SER56C, SER73C, SER75A, SER92A, THR138C, THR225C, THR51C, THR53C, THR76A, THR83A, THR87A, TRP286C, TYR94A, VAL114A, VAL285C, VAL31C, VAL42A, VAL44A, VAL69A, VAL69C, VAL70A, VAL70C, VAL71A, VAL90A, VAL95A, VAL99A
• A-D: ARG306A, ARG306D, ARG33A, ARG33D, ARG34A, ARG34D, ASP29A, ASP29D, GLN37A, GLN37D, GLN63D, GLU18D, GLU21A, GLU21D, GLU25A, GLU25D, GLU305A, GLU305D, GLY38A, GLY65A, GLY65D, LEU22A, LEU22D, LEU26A, LEU26D, LEU304A, LEU304D, LEU36A, LEU36D, LEU64A, LEU64D, LYS28A, LYS28D, PRO35A, PRO35D, SER307A, SER307D, SER32A, SER32D, VAL1A, VAL301A, VAL301D, VAL31A, VAL31D
• A-F: GLN37A, GLN37F, GLY38A, GLY38F, PRO39F
• B-C: ALA134B, ALA267B, ALA284B, ALA289B, ALA43C, ALA62B, ALA68B, ALA68C, ALA88C, ALA97C, ARG142B, ARG269B, ARG292B, ARG34B, ARG40C, ARG52B, ARG54B, ARG54C, ARG80C, ARG93C, ASN291B, ASN49B, ASP275B, ASP279B, ASP287B, ASP72B, ASP72C, ASP81C, ASP86C, ASP96C, CYS264B, GLN131B, GLN296B, GLN37B, GLN37C, GLN63B, GLN85C, GLU141B, GLU288B, GLU290B, GLU58B, GLU58C, GLU82C, GLY38C, GLY41C, GLY60B, GLY65B, GLY65C, GLY66B, GLY66C, GLY74B, GLY74C, HIS268B, HIS294B, HIS67B, HIS67C, ILE45C, ILE61B, ILE61C, ILE98C, LEU265B, LEU293B, LEU36C, LEU59B, LEU64B, LEU78C, LEU91C, LYS27B, LYS297B, LYS48B, LYS89C, MET278B, PHE55B, PHE57B, PRO266B, PRO30B, PRO39C, SER50B, SER56B, SER73B, SER75C, SER92C, THR225B, THR51B, THR53B, THR76C, THR83C, THR87C, TRP286B, TYR94C, VAL285B, VAL31B, VAL42C, VAL44C, VAL69B, VAL69C, VAL70B, VAL70C, VAL71C, VAL90C, VAL95C, VAL99C
• B-D: GLN37B, GLN37D, GLY38B, GLY38D
• B-E: ARG306B, ARG306E, ARG33B, ARG33E, ARG34B, ARG34E, ASP29B, ASP29E, GLN37B, GLN37E, GLU18E, GLU21B, GLU21E, GLU25B, GLU25E, GLU305B, GLU305E, GLY38B, GLY38E, GLY65B, GLY65E, LEU22B, LEU22E, LEU26B, LEU26E, LEU304B, LEU304E, LEU36B, LEU36E, LEU64B, LEU64E, LYS28B, LYS28E, PRO30B, PRO35B, PRO35E, SER307B, SER307E, SER32B, SER32E, VAL301B, VAL301E, VAL31B, VAL31E
• C-E: GLN37C, GLN37E, GLY38C, GLY38E
• C-F: ARG306C, ARG306F, ARG33C, ARG33F, ARG34C, ARG34F, ASP29C, ASP29F, GLN37C, GLN37F, GLU18C, GLU18F, GLU21C, GLU21F, GLU25C, GLU25F, GLU305C, GLU305F, GLY65F, LEU22C, LEU22F, LEU26C, LEU26F, LEU304C, LEU304F, LEU36C, LEU36F, LEU64C, LEU64F, LYS28C, LYS28F, PRO35C, PRO35F, SER307C, SER307F, SER32C, SER32F, VAL1F, VAL301C, VAL301F, VAL31C, VAL31F
• D-E: ALA267E, ALA284E, ALA289E, ALA43D, ALA62E, ALA68D, ALA68E, ALA88D, ALA97D, ARG142E, ARG269E, ARG292E, ARG34E, ARG40D, ARG52E, ARG54D, ARG54E, ARG80D, ARG93D, ASN291E, ASN49E, ASP275E, ASP279E, ASP287E, ASP72D, ASP72E, ASP81D, ASP86D, ASP96D, CYS264E, GLN131E, GLN296E, GLN37D, GLN63E, GLN77D, GLN85D, GLU141E, GLU288E, GLU290E, GLU58D, GLU58E, GLU82D, GLY38D, GLY41D, GLY60E, GLY65E, GLY66D, GLY66E, GLY74D, GLY74E, HIS268E, HIS294E, HIS67D, HIS67E, ILE45D, ILE61E, ILE98D, LEU265E, LEU293E, LEU36D, LEU59E, LEU64E, LEU78D, LEU91D, LYS27E, LYS297E, LYS48E, LYS89D, MET278E, PHE55E, PHE57E, PRO266E, PRO30E, PRO39D, SER283E, SER50E, SER56E, SER73E, SER75D, SER92D, THR138E, THR225E, THR51E, THR53E, THR76D, THR83D, THR87D, TRP286E, TYR94D, VAL114D, VAL285E, VAL31E, VAL42D, VAL44D, VAL69D, VAL70D, VAL70E, VAL71D, VAL90D, VAL95D, VAL99D
• D-F: ALA134D, ALA267D, ALA284D, ALA289D, ALA43F, ALA62D, ALA68D, ALA68F, ALA88F, ALA97F, ARG142D, ARG269D, ARG292D, ARG34D, ARG40F, ARG52D, ARG54D, ARG54F, ARG80F, ARG93F, ASN291D, ASN49D, ASP275D, ASP279D, ASP287D, ASP72D, ASP72F, ASP81F, ASP86F, ASP96F, CYS264D, GLN131D, GLN296D, GLN37D, GLN37F, GLN63D, GLN77F, GLN85F, GLU141D, GLU288D, GLU290D, GLU58D, GLU58F, GLU82F, GLY38F, GLY41F, GLY60D, GLY65D, GLY66D, GLY66F, GLY74D, GLY74F, HIS263D, HIS268D, HIS294D, HIS67D, HIS67F, ILE45F, ILE61D, ILE61F, ILE98F, LEU265D, LEU293D, LEU36F, LEU59D, LEU64D, LEU78F, LEU91F, LYS27D, LYS297D, LYS48D, LYS89F, MET278D, PHE55D, PHE57D, PRO266D, PRO30D, PRO39F, SER283D, SER50D, SER56D, SER73D, SER75F, SER92F, THR138D, THR225D, THR51D, THR53D, THR76F, THR83F, THR87F, TRP286D, TYR94F, VAL114F, VAL285D, VAL31D, VAL42F, VAL44F, VAL69D, VAL69F, VAL70D, VAL70F, VAL71F, VAL90F, VAL95F, VAL99F
• E-F: ALA134F, ALA267F, ALA284F, ALA289F, ALA43E, ALA62F, ALA68E, ALA68F, ALA88E, ALA97E, ARG142F, ARG269F, ARG292F, ARG34F, ARG40E, ARG52F, ARG54E, ARG54F, ARG80E, ARG93E, ASN291F, ASN49F, ASP275F, ASP279F, ASP287F, ASP72E, ASP72F, ASP81E, ASP86E, ASP96E, CYS264F, GLN131F, GLN296F, GLN37E, GLN37F, GLN63F, GLN85E, GLU141F, GLU288F, GLU290F, GLU58E, GLU58F, GLU82E, GLY38E, GLY41E, GLY60F, GLY65F, GLY66E, GLY66F, GLY74E, GLY74F, HIS263F, HIS268F, HIS294F, HIS67E, HIS67F, ILE45E, ILE61E, ILE61F, ILE98E, LEU265F, LEU293F, LEU36E, LEU59F, LEU64F, LEU78E, LEU91E, LYS27F, LYS297F, LYS48F, LYS89E, MET278F, PHE55F, PHE57F, PRO266F, PRO30F, PRO39E, SER50F, SER56F, SER73F, SER75E, SER92E, THR225F, THR51F, THR53F, THR76E, THR83E, THR87E, TRP286F, TYR94E, VAL285F, VAL31F, VAL42E, VAL44E, VAL69E, VAL69F, VAL70E, VAL70F, VAL71E, VAL90E, VAL95E, VAL99E